2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F724-0255 |
| Compound Name: | 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(3-methylbutanamido)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 559.89 |
| Molecular Formula: | C25 H27 F N4 O3 |
| Salt: | 3HCl |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccc1F)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.561 |
| logD: | 2.6169 |
| logSw: | -5.4912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.002 |
| InChI Key: | HNJVCZWCUKVCJT-UHFFFAOYSA-N |